1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde

C25H26FNO — CID 143753137

IUPAC1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde
SMILESO=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C25H26FNO/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28/h1-2,4-8,13,17,23H,3,9-12,14-16H2
InChIKeyOOKYLMGTBIBYCG-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.59
Rot. Bonds2

About 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde

1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde (PubChem CID 143753137) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde
PubChem CID143753137
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde
SMILESO=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C25H26FNO/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28/h1-2,4-8,13,17,23H,3,9-12,14-16H2
InChIKeyOOKYLMGTBIBYCG-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The IUPAC name of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde (CID 143753137) is 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The canonical SMILES for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde is O=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1.
What is the InChIKey of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The InChIKey is OOKYLMGTBIBYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28/h1-2,4-8,13,17,23H,3,9-12,14-16H2.
What are the key properties of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde?
1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde has a molecular weight of 375.49 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde is sourced from PubChem (CID 143753137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).